4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-
Basic information
- CAS
61280-30-6- Standard SMILES
O=C1CC(=O)NC(N2CCCCCC2)=N1- InChIKey
IJOREYLIDYPKAV-UHFFFAOYSA-N- Molecular formula
- C10H15N3O2
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.11642673
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-
- IUPAC
- 2-(azepan-1-yl)-1H-pyrimidine-4,6-dione
- English name
- 2-(Hexahydro-1H-azepin-1-yl)pyrimidine-4,6(1H,5H)-dione
- Molecular formula
- C10H15N3O2
- Molecular weight
- 209.24
Names & synonyms
61280-30-64,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-2-(Hexahydro-1H-azepin-1-yl)pyrimidine-4,6(1H,5H)-dioneBRN 06534742-(Hexahydro-1H-azepin-1-yl)-4,6(1H,5H)-pyrimidinedione2-(azepan-1-yl)pyrimidine-4,6(1H,5H)-dioneDTXSID70210179AKOS015865892DB-2919732-azepan-1-ylpyrimidine-4,6(1H,5H)-dione
Database identifiers
- CAS
61280-30-6- PubChem CID
- 3045891
- DTXSID
DTXSID70210179- Nikkaji
- J90.429E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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